Optimal parameter set for spherenet?

[divelab]

Optimal parameter set for spherenet?

[mengliu1998]

@kexinhuang12345 @chao1224 Thank you for your question. We are reproducing the result for SphereNet with our modularized APIs in DIG. We will let you know the optimal parameters once we have the result. Thanks!

[chao1224]

Same question here.

I followed the hyperparameter here for QM9, as suggested in #20, yet the results are not matching.

[kexinhuang12345]

by the way, if you guys have done experiments to reproduce the schnet and dimenet, would be great that you can share the parameter set as well! If not, no worries! Thanks

[limei0307]

@kexinhuang12345 Sorry that we didn't do experiments to reproduce the SchNet and DimeNet.
For SphereNet, I have reproduced half of the properties of QM9 and updated the default hyperparameters in threedgraph.ipynb. I will provide the trained model and optimal hyperparameters as soon as possible. Thanks!

[kexinhuang12345]

No problem, thanks so much!

[limei0307]

@chao1224 @kexinhuang12345 We provided the trained model and optimal hyperparameters in https://github.com/divelab/DIG_storage/tree/main/3dgraph/qm9. Please let us know if there are any further concerns.

[chao1224]

@chao1224 @kexinhuang12345 We provided the trained model and optimal hyperparameters in https://github.com/divelab/DIG_storage/tree/main/3dgraph/qm9. Please let us know if there are any further concerns.

Somehow the link is broken, but I can find it manually. Thanks!

[kexinhuang12345]

Thanks so much for the help!